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BDBM87578 MLS001101393::N-(2-phenylethyl)-3-(1-propylpiperidin-4-yl)oxy-benzamide::N-(2-phenylethyl)-3-(1-propylpiperidin-4-yl)oxybenzamide::N-(2-phenylethyl)-3-[(1-propyl-4-piperidinyl)oxy]benzamide::N-phenethyl-3-[(1-propyl-4-piperidyl)oxy]benzamide::SMR000664527::cid_24819334

SMILES: CCCN1CCC(CC1)Oc1cccc(c1)C(=O)NCCc1ccccc1

InChI Key: InChIKey=CVXMWXJWRGXCIS-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 87578   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
High-affinity choline transporter


(Homo sapiens (Human))
BDBM87578
PNG
(MLS001101393 | N-(2-phenylethyl)-3-(1-propylpiperi...)
Show SMILES CCCN1CCC(CC1)Oc1cccc(c1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C23H30N2O2/c1-2-15-25-16-12-21(13-17-25)27-22-10-6-9-20(18-22)23(26)24-14-11-19-7-4-3-5-8-19/h3-10,18,21H,2,11-17H2,1H3,(H,24,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.22E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human CHT Leu530Ala and Val531Ala mutant expressed in HEK293 cells by membrane depolarization assay


Bioorg Med Chem Lett 25: 1757-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.058
BindingDB Entry DOI: 10.7270/Q24J0GTX
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM87578
PNG
(MLS001101393 | N-(2-phenylethyl)-3-(1-propylpiperi...)
Show SMILES CCCN1CCC(CC1)Oc1cccc(c1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C23H30N2O2/c1-2-15-25-16-12-21(13-17-25)27-22-10-6-9-20(18-22)23(26)24-14-11-19-7-4-3-5-8-19/h3-10,18,21H,2,11-17H2,1H3,(H,24,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.76E+3n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2GT5KR1
More data for this
Ligand-Target Pair